CHEMBL204651


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)NCCc4ccc(OC)c(OC)c4)ncnc32)[C@H](O)[C@@H]1O
InChIKey RKHFTDCSAUSEQQ-RQXXJAGISA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 9
Molecular weight (Da) 515.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Rat Adenosine A pKi 6.39 6.39 6.39 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.8 5.8 5.8 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.75 5.75 5.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database